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Isopropanol
67-63-0 | DTXSID7020762

Searched by Approved Name: Found 1 result for 'Isopropanol'.

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Wikipedia
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Intrinsic Properties

Molecular Formula: C3H8O

Average Mass: 60.096 g/mol

Monoisotopic Mass: 60.057515 g/mol

Structural Identifiers

IUPAC Name: Propan-2-ol

SMILES: CC(C)O

InChI String: InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3

InChIKey: KFZMGEQAYNKOFK-UHFFFAOYSA-N

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Structural Skeleton Full Structure

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Citation

U.S. Environmental Protection Agency. Chemistry Dashboard. https://comptox.epa.gov/dashboard/DTXSID7020762 (accessed July 22, 2018), Isopropanol

Data Quality

Level 1:Expert curated, highest confidence in accuracy and consistency of unique chemical identifiers

Level 2:Expert curated, unique chemical identifiers using multiple sources

Level 3:Programmatically curated from high quality EPA source, unique chemical identifiers have no conflicts in ChemID and PubChem

Level 4:Programmatically curated from ChemID, unique chemical identifiers have no conflicts in PubChem

Level 5:Programmatically curated from ACToR or PubChem, unique chemical identifiers with low confidence, single public source

No Quality Control Notes.

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

LogP: Octanol-Water

0.05 (1)

2.25e-01 (5)

-

2.39e-01

0.05

0.16 to 0.28

-

Water Solubility

16.6 (1)

7.46 (4)

-

7.80

16.6

4.79 to 9.46

mol/L

Density

-

8.27e-01 (2)

-

8.27e-01

-

7.91e-01 to 8.63e-01

g/cm^3

Flash Point

-

8.92 (2)

-

8.92

-

6.16 to 11.7

°C

Melting Point

-89.3 (7)

-76.3 (4)

-89.5

-81.3

-90.0 to -88.0

-97.0 to -45.9

°C

Boiling Point

82.5 (5)

76.1 (5)

82.5

73.0

82.2 to 82.8

67.0 to 90.0

°C

Surface Tension

-

24.4 (2)

-

24.4

-

22.6 to 26.2

dyn/cm

Thermal Conductivity

-

158 (1)

- - - -

mW/(m*K)

Vapor Pressure

45.4 (1)

50.3 (4)

-

52.0

45.4

16.0 to 81.3

mmHg

Viscosity

-

2.02 (1)

- - - -

cP

LogKoa: Octanol-Air

3.41 (1)

3.68 (1)

- - - - -

Henry's Law

8.10e-06 (1)

7.66e-06 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.38 (1)

- - - - -

Molar Refractivity

-

17.4 (1)

- - - -

cm^3

Molar Volume

-

75.9 (1)

- - - -

cm^3

Polarizability

-

6.91 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental

0.05 (1)

-

0.05

Predicted

2.25e-01 (5)

2.39e-01

0.16 to 0.28

Experimental

Source

Result

PhysPropNCCT

0.05

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

0.28

Not Available

Not Available

NICEATM

1.90e-01

Not Available

Available

ACD/Labs Consensus

2.39e-01

Not Available

Not Available

ACD/Labs

0.16

Not Available

Not Available

OPERA

2.58e-01

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental

16.6 (1)

-

16.6

Predicted

7.46 (4)

7.80

4.79 to 9.46

Experimental

Source

Result

PhysPropNCCT

16.6 mol/L

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

6.70 mol/L

Not Available

Not Available

NICEATM

8.91 mol/L

Not Available

Available

TEST

4.79 mol/L

TEST Report

Not Available

OPERA

9.46 mol/L

OPERA Model Report

Available

Density

Average

Median

Range

Experimental - - -
Predicted

8.27e-01 (2)

8.27e-01

7.91e-01 to 8.63e-01

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

7.91e-01 g/cm^3

Not Available

Not Available

TEST

8.63e-01 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

8.92 (2)

8.92

6.16 to 11.7

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

11.7 °C

Not Available

Not Available

TEST

6.16 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental

-89.3 (7)

-89.5

-90.0 to -88.0

Predicted

-76.3 (4)

-81.3

-97.0 to -45.9

Experimental

Source

Result

NIOSH

-88.3 °C

Jean-Claude Bradley Open Melting Point Dataset

-88.0 °C

Jean-Claude Bradley Open Melting Point Dataset

-89.5 °C

Jean-Claude Bradley Open Melting Point Dataset

-90.0 °C

Alfa Aesar

-90.0 °C

Alfa Aesar

-90.0 °C

PhysPropNCCT

-89.5 °C

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

-89.2 °C

Not Available

Not Available

NICEATM

-73.3 °C

Not Available

Available

TEST

-45.9 °C

TEST Report

Not Available

OPERA

-97.0 °C

OPERA Model Report

Available

Boiling Point

Average

Median

Range

Experimental

82.5 (5)

82.5

82.2 to 82.8

Predicted

76.1 (5)

73.0

67.0 to 90.0

Experimental

Source

Result

NIOSH

82.8 °C

Alfa Aesar

82.5 °C

Alfa Aesar

82.5 °C

Food and Agriculture Organization of the United Nations

82.2 °C

PhysPropNCCT

82.3 °C

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

67.0 °C

Not Available

Not Available

NICEATM

67.5 °C

Not Available

Available

ACD/Labs

73.0 °C

Not Available

Not Available

TEST

83.1 °C

TEST Report

Not Available

OPERA

90.0 °C

OPERA Model Report

Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

24.4 (2)

24.4

22.6 to 26.2

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

22.6 dyn/cm

Not Available

Not Available

TEST

26.2 dyn/cm

TEST Report

Not Available

Thermal Conductivity

Average

Median

Range

Experimental - - -
Predicted

158 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

158 mW/(m*K)

TEST Report

Not Available

Vapor Pressure

Average

Median

Range

Experimental

45.4 (1)

-

45.4

Predicted

50.3 (4)

52.0

16.0 to 81.3

Experimental

Source

Result

PhysPropNCCT

45.4 mmHg

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

80.6 mmHg

Not Available

Available

ACD/Labs

81.3 mmHg

Not Available

Not Available

TEST

16.0 mmHg

TEST Report

Not Available

OPERA

23.4 mmHg

OPERA Model Report

Available

Viscosity

Average

Median

Range

Experimental - - -
Predicted

2.02 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

2.02 cP

TEST Report

Not Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental

3.41 (1)

-

-
Predicted

3.68 (1)

-

-
Experimental

Source

Result

PhysPropNCCT

3.41

Predicted

Source

Result

Calculation Details

QMRF

OPERA

3.68

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental

8.10e-06 (1)

-

-
Predicted

7.66e-06 (1)

-

-
Experimental

Source

Result

PhysPropNCCT

8.10e-06 atm-m3/mole

Predicted

Source

Result

Calculation Details

QMRF

OPERA

7.66e-06 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.38 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.38

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

17.4 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

17.4 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

75.9 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

75.9 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

6.91 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

6.91 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

3.46 (2)

-

3.46

-

3.44 to 3.48

L/kg

Atmos. Hydroxylation Rate

5.07e-12 (1)

5.53e-12 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

7.53 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

8.45e-02 (1)

- - - -

days

Bioaccumulation Factor

-

9.64e-01 (1)

- - - - -

Bioconcentration Factor

-

2.42 (5)

-

2.13

-

9.64e-01 to 4.60

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

3.46 (2)

3.46

3.44 to 3.48

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

3.48 L/kg

Not Available

Not Available

OPERA

3.44 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental

5.07e-12 (1)

-

-
Predicted

5.53e-12 (1)

-

-
Experimental

Source

Result

PhysPropNCCT

5.07e-12 cm3/molecule*sec

Predicted

Source

Result

Calculation Details

QMRF

OPERA

5.53e-12 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

7.53 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

7.53 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

8.45e-02 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

8.45e-02 days

OPERA Model Report

Available

Bioaccumulation Factor

Average

Median

Range

Experimental - - -
Predicted

9.64e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

9.64e-01

Not Available

Not Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

2.42 (5)

2.13

9.64e-01 to 4.60

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

9.64e-01

Not Available

Not Available

EPISUITE

3.16

Not Available

Not Available

NICEATM

1.24

Not Available

Available

TEST

2.13

TEST Report

Not Available

OPERA

4.60

OPERA Model Report

Available

Found 62 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Isopropanol
Propan-2-ol
2-Propanol
67-63-0 Active CAS-RN
Isopropyl alcohol
2-Propanol
4-01-00-01461 Beilstein Registry Number
1-Methylethanol
1-Methylethyl alcohol
2-Hydroxypropane
2-Propyl alcohol
Alcojel
Alcosolve 2
Autosept
Avantin
Avantine
Combi-Schutz
DIMETHYL CARBINOL
Dimethylcarbinol
Hartosol
Imsol A
Isopranol
iso-Propanol
iso-Propyl alcohol
Isopropyl Alcohol A.R. Propanol
Isopropyl alcohol manufacture
Lutosol
n-Propan-2-ol
NSC 135801
Petrohol
Propan-2-ol
propane-2-ol
sec-Propanol
sec-Propyl alcohol
Sterisol Hand Disinfectant
Takineocol
Tokuso IPA
UN 1219
Virahol
Alcosolve
Arquad DMCB
BRN 0635639
Caswell No. 507
EINECS 200-661-7
FEMA No. 2929
FEMA Number 2929
Isopropyl alcohol, rubbing
Lavacol
i-Propyl alcohol
Spectrar
Alcool isopropilico
Alcool isopropylique
i-Propylalkohol
Iso-propylalkohol
UNII-ND2M416302 FDA Registry Number
Alkolave
IPA
Isopropylalkohol
Lavaco
i-Propylalkohol
i-propanol
8013-70-5 Deleted CAS-RN
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Toxics Release Inventory


National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Download as:

130th highest exposure

Exposure Predictions (mg/kg-bw/day)

Median

95th Percentile

Ages 6-11

1.27e-04

6.74e-03

Ages 12-19

5.66e-05

6.61e-03

Ages 20-65

5.18e-05

4.99e-03

Ages 65+

3.53e-05

3.68e-03

BMI > 30

4.71e-05

2.92e-03

BMI < 30

4.60e-05

3.77e-03

Repro. Age Females

4.94e-05

4.50e-03

Females

4.50e-05

4.06e-03

Males

6.49e-05

5.35e-03

Total

4.80e-05

4.94e-03

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